SCHEMBL28847710

SCHEMBL28847710

O=C(O)Nc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.61
F3 P13726 1/20 0.61
NR4A2 P43354 1/20 0.54
NHERF1 O14745 5/20 0.52
STING1 Q86WV6 1/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23167610 0.88 F7 (0.58) F7F3NR4A2NHERF1STING1
SCHEMBL30386394 0.86 F7 (0.55) F7F3NR4A2NHERF1STING1
SCHEMBL7902669 0.86 MTNR1A (0.57) F7F3NR4A2NHERF1STING1
SCHEMBL24630105 0.83 NR4A2 (0.54) F7F3NR4A2NHERF1STING1
SCHEMBL23612236 0.82 NPSR1 (0.54) HSD17B10
SCHEMBL29307516 0.82 F7 (0.51) F7F3NR4A2NHERF1STING1
SCHEMBL12545431 0.82 NR4A2 (0.52) F7F3NR4A2NHERF1STING1
SCHEMBL23207500 0.81 NR4A2 (0.58) F7F3NR4A2NHERF1STING1
SCHEMBL23167587 0.81 NR4A2 (0.54) NR4A2STING1MTNR1AMTNR1BGPR84
SCHEMBL23167601 0.80 NR4A2 (0.53) F7F3NR4A2NHERF1MTNR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480524-B Alkaloid hamacanthins series derivatives, and preparation method and application thereof 河北工业大学 2022-08-30 CN disclosed